4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine

C18H28N2O2 — CID 91138223

IUPAC4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine
SMILESCCC(N=O)c1ccc(OCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-18(19-21)16-5-7-17(8-6-16)22-14-4-11-20-12-9-15(2)10-13-20/h5-8,15,18H,3-4,9-14H2,1-2H3
InChIKeyZPGMKMWAZNLZRI-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.40
Rot. Bonds8

About 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine

4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine (PubChem CID 91138223) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine
PubChem CID91138223
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine
SMILESCCC(N=O)c1ccc(OCCCN2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-18(19-21)16-5-7-17(8-6-16)22-14-4-11-20-12-9-15(2)10-13-20/h5-8,15,18H,3-4,9-14H2,1-2H3
InChIKeyZPGMKMWAZNLZRI-UHFFFAOYSA-N
XLogP4.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]piperidine
CID 2270733
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2298094
4-[4-(4-methylpiperidin-1-yl)butoxy]benzonitrile;hydrochloride
CID 2993269
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
2-methyl-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]-2-propoxypropanamide
CID 100736524
2-methyl-1-[4-(4-methylpiperidin-1-yl)butyl]-3-(2-phenoxyethyl)guanidine
CID 111005041
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
4-[bis(4-methoxyphenyl)methyl]-1-[3-(4-tert-butylphenoxy)propyl]piperidine
CID 14407109
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine?
The IUPAC name of 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine (CID 91138223) is 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine?
The canonical SMILES for 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine is CCC(N=O)c1ccc(OCCCN2CCC(C)CC2)cc1.
What is the InChIKey of 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine?
The InChIKey is ZPGMKMWAZNLZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-18(19-21)16-5-7-17(8-6-16)22-14-4-11-20-12-9-15(2)10-13-20/h5-8,15,18H,3-4,9-14H2,1-2H3.
What are the key properties of 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine?
4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine has a molecular weight of 304.43 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-[4-(1-nitrosopropyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 91138223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).